N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide

C22H32F3N3O3S — CID 54764522

IUPACN-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C22H32F3N3O3S/c1-2-16-32(30,31)28-14-12-27(13-15-28)21(10-6-3-7-11-21)17-26-20(29)18-8-4-5-9-19(18)22(23,24)25/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,26,29)
InChIKeyRJKVNLIDWWKZFN-UHFFFAOYSA-N
MW475.58 g/mol
LogP3.50
Rot. Bonds7

About N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide

N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 54764522) has the molecular formula C22H32F3N3O3S and a molecular weight of 475.58 g/mol. Its IUPAC name is N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID54764522
Molecular FormulaC22H32F3N3O3S
Molecular Weight475.58 g/mol
Exact Mass475.21
IUPAC NameN-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C22H32F3N3O3S/c1-2-16-32(30,31)28-14-12-27(13-15-28)21(10-6-3-7-11-21)17-26-20(29)18-8-4-5-9-19(18)22(23,24)25/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,26,29)
InChIKeyRJKVNLIDWWKZFN-UHFFFAOYSA-N
XLogP3.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide (CID 54764522) is N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide is CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3C(F)(F)F)CCCCC2)CC1.
What is the InChIKey of N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is RJKVNLIDWWKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N3O3S/c1-2-16-32(30,31)28-14-12-27(13-15-28)21(10-6-3-7-11-21)17-26-20(29)18-8-4-5-9-19(18)22(23,24)25/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,26,29).
What are the key properties of N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide?
N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 475.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 54764522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).